Butyl 2,2-Difluorocyclopropanecarboxylate - CAS 260352-79-2

Catalog:	BB019111
Product Name:	Butyl 2,2-Difluorocyclopropanecarboxylate
CAS:	260352-79-2
Synonyms:	2,2-difluoro-1-cyclopropanecarboxylic acid butyl ester; butyl 2,2-difluorocyclopropane-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	butyl 2,2-difluorocyclopropane-1-carboxylate
Description:	Butyl 2,2-Difluorocyclopropanecarboxylate (CAS# 260352-79-2) is a useful research chemical.
Molecular Weight:	178.18
Molecular Formula:	C8H12F2O2
Canonical SMILES:	CCCCOC(=O)C1CC1(F)F
InChI:	InChI=1S/C8H12F2O2/c1-2-3-4-12-7(11)6-5-8(6,9)10/h6H,2-5H2,1H3
InChI Key:	JHIWVOJDXOSYLW-UHFFFAOYSA-N
Boiling Point:	175.2 °C at 760 mmHg
Density:	1.13 g/cm³
Appearance:	Red orange liquid
MDL:	MFCD06797747
LogP:	1.98490

Publication Number	Title	Priority Date
AU-2016287581-A1	Bicyclic lactams and methods of use thereof	20150702
AU-2016287581-A9	Bicyclic lactams and methods of use thereof	20150702
AU-2016287581-B2	Bicyclic lactams and methods of use thereof	20150702
AU-2019203444-A1	Bicyclic lactams and methods of use thereof	20150702
CN-111269221-A	Bicyclic lactams and methods of use thereof	20150702

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.08053595
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.08053595
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1